2-acetyloxy-3-[5,6-bis(chloranyl)-3-ethyl-2-methyl-1,2-dihydrobenzimidazol-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 2-acetyloxy-3-[5,6-bis(chloranyl)-3-ethyl-2-methyl-1,2-dihydrobenzimidazol-1-ium-1-yl]propane-1-sulfonate Openeye Name: 2-acetoxy-3-(5,6-dichloro-3-ethyl-2-methyl-1,2-dihydrobenzimidazol-1-ium-1-yl)propane-1-sulfonate CAS Name: 2-acetyloxy-3-(5,6-dichloro-3-ethyl-2-methyl-1,2-dihydrobenzimidazol-1-ium-1-yl)-1-propanesulfonate IUPAC Name: 2-acetyloxy-3-(5,6-dichloro-3-ethyl-2-methyl-1,2-dihydrobenzimidazol-1-ium-1-yl)propane-1-sulfonate Traditional Name: 2-acetoxy-3-(5,6-dichloro-3-ethyl-2-methyl-1,2-dihydrobenzimidazol-1-ium-1-yl)propane-1-sulfonate Formula: C15H20Cl2N2O5S MolecularWeight: 411.3007

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C([NH+](C2=CC(=C(C=C21)Cl)Cl)CC(CS(=O)(=O)[O-])OC(=O)C)C

Isomeric SMILES

CCN1C([NH+](C2=CC(=C(C=C21)Cl)Cl)CC(CS(=O)(=O)[O-])OC(=O)C)C

InChI

InChI=1S/C15H20Cl2N2O5S/c1-4-18-9(2)19(15-6-13(17)12(16)5-14(15)18)7-11(24-10(3)20)8-25(21,22)23/h5-6,9,11H,4,7-8H2,1-3H3,(H,21,22,23)